4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide

C13H21BrN2OS — CID 115156184

IUPAC4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NCC(C)(C)c1cc(Br)cs1
InChIInChI=1S/C13H21BrN2OS/c1-9(4-5-15)12(17)16-8-13(2,3)11-6-10(14)7-18-11/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyISQZBEWFFSMFDI-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.89
Rot. Bonds6

About 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide

4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide (PubChem CID 115156184) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
PubChem CID115156184
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
SMILESCC(CCN)C(=O)NCC(C)(C)c1cc(Br)cs1
InChIInChI=1S/C13H21BrN2OS/c1-9(4-5-15)12(17)16-8-13(2,3)11-6-10(14)7-18-11/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyISQZBEWFFSMFDI-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
(E)-4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-4-oxobut-2-enoic acid
CID 115177350
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
CID 115197588
4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-3-hydroxybutanoic acid
CID 115123172
2-[[(4-amino-2-methylbutanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277585
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133068
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
CID 82297708
2-[[(4-amino-2-methylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 80544917
4-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]aniline
CID 115212607

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide (CID 115156184) is 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide is CC(CCN)C(=O)NCC(C)(C)c1cc(Br)cs1.
What is the InChIKey of 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide?
The InChIKey is ISQZBEWFFSMFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-9(4-5-15)12(17)16-8-13(2,3)11-6-10(14)7-18-11/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide?
4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide has a molecular weight of 333.30 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide is sourced from PubChem (CID 115156184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).